Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.79 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.79 |
| ▸ | GAA | P10253 | 2/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.69 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | DDX3X | O00571 | 2/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.68 |
| ▸ | HTT | P42858 | 1/20 | 0.68 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.58 |
| ▸ | PPIA | P62937 | 1/20 | 0.56 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4866357 | 0.92 | MEN1 (0.67) | MEN1KMT2AGAAALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4856338 | 0.85 | MEN1 (0.60) | MEN1KMT2AGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL4865811 | 0.85 | NAMPT (0.65) | MEN1KMT2AGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL28554994 | 0.85 | NAMPT (0.64) | MEN1KMT2AGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL15306500 | 0.85 | NAMPT (0.72) | MEN1KMT2AGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL6129390 | 0.84 | MEN1 (0.90) | MEN1KMT2AGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL5111614 | 0.83 | MEN1 (0.72) | MEN1KMT2AGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL1047211 | 0.82 | MEN1 (1.00) | MEN1KMT2AGAASMN1; SMN2MAPT | |
| SCHEMBL6754266 | 0.82 | ALDH1A1 (1.00) | MEN1KMT2AGAAALDH1A1SMN1; SMN2 | |
| Potassium Ion SCHEMBL3975659 | 0.81 | MEN1 (0.68) | MEN1KMT2AGAAALDH1A1SMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6124288-A | Xanthines and their therapeutic use | DARWIN DISCOVERY, LTD. (GB) | 2000-09-26 | — | — | US | disclosed |
| US-5821366-A | Xanthines and their therapeutic use | CHIROSCIENCE LIMITED (GB) | 1998-10-13 | — | — | US | disclosed |
| EP-0825993-A1 | XANTHINES AND THEIR THERAPEUTIC USE | Chiroscience Limited (GB) | 1998-03-04 | — | — | EP | disclosed |
| WO-1996036638-A1 | XANTHINES AND THEIR THERAPEUTIC USE | CHIROSCIENCE LIMITED (GB) | 1996-11-21 | — | — | WO | disclosed |